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Compile Data Set for Download or QSAR

Found 72 hits of ic50 for Adrenergic receptor alpha-2
having polymerids = 49000232 and
complexids = 50000720,50003305   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070193
PNG
(1-((6aR,9R,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,...)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C28H43N5O2/c1-8-29-27(35)33(11-9-10-31(5)6)26(34)19-12-21-22-14-20(28(2,3)4)15-23-25(22)18(16-30-23)13-24(21)32(7)17-19/h14-16,19,21,24,30H,8-13,17H2,1-7H3,(H,29,35)/t19-,21-,24-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048608
PNG
(CHEMBL154488 | Indol-1-yl-pyridin-4-yl-amine)
Show SMILES N(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C13H11N3/c1-2-4-13-11(3-1)7-10-16(13)15-12-5-8-14-9-6-12/h1-10H,(H,14,15)
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n/an/a 8n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048589
PNG
(CHEMBL152842 | Indol-1-yl-methyl-pyridin-4-yl-amin...)
Show SMILES CN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C14H13N3/c1-16(13-6-9-15-10-7-13)17-11-8-12-4-2-3-5-14(12)17/h2-11H,1H3
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n/an/a 24n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070186
PNG
(1-Acetyl-3-((6aR,9S,10aR)-7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H24N4OS/c1-11(24)22-19(25)21-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)23(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H2,21,22,24,25)/t12-,15+,17+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070188
PNG
(1-((6aR,9R,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,...)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C28H43N5O2/c1-8-29-27(35)33(13-9-12-31(5)6)26(34)19-14-21-20-10-11-22(28(2,3)4)25-24(20)18(16-30-25)15-23(21)32(7)17-19/h10-11,16,19,21,23,30H,8-9,12-15,17H2,1-7H3,(H,29,35)/t19-,21-,23-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048600
PNG
(CHEMBL154541 | Ethyl-indol-1-yl-pyridin-4-yl-amine)
Show SMILES CCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C15H15N3/c1-2-17(14-7-10-16-11-8-14)18-12-9-13-5-3-4-6-15(13)18/h3-12H,2H2,1H3
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Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070191
PNG
(1-((6aR,9R,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,...)
Show SMILES CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C23H30N4O2/c1-23(2,3)17-6-5-15-16-7-13(11-27-12-19(28)25-22(27)29)10-26(4)18(16)8-14-9-24-21(17)20(14)15/h5-6,9,12-13,16,18,24,28H,7-8,10-11H2,1-4H3,(H,25,29)/t13-,16-,18-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048580
PNG
(CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...)
Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]idazoxan binding to Alpha-2 adrenergic receptor in rat cortex, in the presence of GPP


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070199
PNG
(1-((6aR,9R,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octa...)
Show SMILES CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H22N4O2/c1-22-8-11(9-23-10-17(24)21-19(23)25)5-14-13-3-2-4-15-18(13)12(7-20-15)6-16(14)22/h2-4,7,10-11,14,16,20,24H,5-6,8-9H2,1H3,(H,21,25)/t11-,14-,16-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50016489
PNG
((6aR,9R,10aR)-7,9-Dimethyl-4,6,6a,7,8,9,10,10a-oct...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048580
PNG
(CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...)
Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
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Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]yohimbine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070196
PNG
(1-((6aR,9R,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,...)
Show SMILES CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C23H30N4O2/c1-23(2,3)15-7-17-16-5-13(11-27-12-20(28)25-22(27)29)10-26(4)19(16)6-14-9-24-18(8-15)21(14)17/h7-9,12-13,16,19,24,28H,5-6,10-11H2,1-4H3,(H,25,29)/t13-,16-,19-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290748
PNG
(9-{3-[2-(2-Methoxy-phenoxy)-ethylamino]-propionyl}...)
Show SMILES COc1ccccc1OCCNCCC(=O)N1CCCSc2c1cnn(C)c2=O
Show InChI InChI=1S/C20H26N4O4S/c1-23-20(26)19-15(14-22-23)24(11-5-13-29-19)18(25)8-9-21-10-12-28-17-7-4-3-6-16(17)27-2/h3-4,6-7,14,21H,5,8-13H2,1-2H3
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048580
PNG
(CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...)
Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
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n/an/a 330n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070184
PNG
(((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C24H27N3O2/c1-27-14-17(12-26-24(28)29-15-16-6-3-2-4-7-16)10-20-19-8-5-9-21-23(19)18(13-25-21)11-22(20)27/h2-9,13,17,20,22,25H,10-12,14-15H2,1H3,(H,26,28)/t17-,20+,22+/m0/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070197
PNG
((6aR,9R,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahyd...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1nccs1
Show InChI InChI=1S/C19H20N4OS/c1-23-10-12(18(24)22-19-20-5-6-25-19)7-14-13-3-2-4-15-17(13)11(9-21-15)8-16(14)23/h2-6,9,12,14,16,21H,7-8,10H2,1H3,(H,20,22,24)/t12-,14-,16-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070187
PNG
(1-Acetyl-3-((6aR,9S,10aR)-3-tert-butyl-7-methyl-4,...)
Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C23H32N4OS/c1-13(28)26-22(29)25-10-14-8-17-16-6-7-18(23(2,3)4)21-20(16)15(11-24-21)9-19(17)27(5)12-14/h6-7,11,14,17,19,24H,8-10,12H2,1-5H3,(H2,25,26,28,29)/t14-,17+,19+/m0/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048580
PNG
(CHEMBL29835 | Indol-1-yl-propyl-pyridin-4-yl-amine...)
Show SMILES CCCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
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Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-idazoxan binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070203
PNG
(CHEMBL14048 | N-((6aR,9S,10aR)-7-Methyl-4,6,6a,7,8...)
Show SMILES CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C23H25N3O/c1-26-14-15(12-25-23(27)16-6-3-2-4-7-16)10-19-18-8-5-9-20-22(18)17(13-24-20)11-21(19)26/h2-9,13,15,19,21,24H,10-12,14H2,1H3,(H,25,27)/t15-,19+,21+/m0/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048602
PNG
(CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...)
Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2
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n/an/a 500n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070195
PNG
((6aR,9R,10aR)-7-Methyl-4,6,6a,7,8,9,10,10a-octahyd...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C20H20ClN5O/c1-26-10-12(20(27)23-18-6-5-17(21)24-25-18)7-14-13-3-2-4-15-19(13)11(9-22-15)8-16(14)26/h2-6,9,12,14,16,22H,7-8,10H2,1H3,(H,23,25,27)/t12-,14-,16-/m1/s1
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Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290749
PNG
(3-Methyl-9-[3-(2-phenoxy-ethylamino)-propionyl]-6,...)
Show SMILES Cn1ncc2N(CCCOc2c1=O)C(=O)CCNCCOc1ccccc1
Show InChI InChI=1S/C19H24N4O4/c1-22-19(25)18-16(14-21-22)23(11-5-12-27-18)17(24)8-9-20-10-13-26-15-6-3-2-4-7-15/h2-4,6-7,14,20H,5,8-13H2,1H3
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048610
PNG
(CHEMBL435034 | Carbazol-9-yl-propyl-pyridin-4-yl-a...)
Show SMILES CCCN(c1ccncc1)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H19N3/c1-2-15-22(16-11-13-21-14-12-16)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-14H,2,15H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048576
PNG
(Butyl-indol-1-yl-pyridin-4-yl-amine | CHEMBL155109)
Show SMILES CCCCN(c1ccncc1)n1ccc2ccccc12
Show InChI InChI=1S/C17H19N3/c1-2-3-13-19(16-8-11-18-12-9-16)20-14-10-15-6-4-5-7-17(15)20/h4-12,14H,2-3,13H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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n/an/a 630n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070190
PNG
(((6aR,9S,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)23-11-10-21-22-12-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)24(22)13-20-15-29-26(23)25(20)21/h5-11,15,19,22,24,29H,12-14,16-17H2,1-4H3,(H,30,32)/t19-,22+,24+/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070202
PNG
(CHEMBL267799 | N-((6aR,9S,10aR)-3-tert-Butyl-7-met...)
Show SMILES CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
Show InChI InChI=1S/C27H33N3O/c1-27(2,3)22-11-10-20-21-12-17(14-29-26(31)18-8-6-5-7-9-18)16-30(4)23(21)13-19-15-28-25(22)24(19)20/h5-11,15,17,21,23,28H,12-14,16H2,1-4H3,(H,29,31)/t17-,21+,23+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070198
PNG
((6aR,9R,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,1...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H28N4OS/c1-23(2,3)17-6-5-15-16-9-14(21(28)26-22-24-7-8-29-22)12-27(4)18(16)10-13-11-25-20(17)19(13)15/h5-8,11,14,16,18,25H,9-10,12H2,1-4H3,(H,24,26,28)/t14-,16-,18-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070200
PNG
((6aR,9R,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,1...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C24H28ClN5O/c1-24(2,3)15-9-17-16-7-14(23(31)27-21-6-5-20(25)28-29-21)12-30(4)19(16)8-13-11-26-18(10-15)22(13)17/h5-6,9-11,14,16,19,26H,7-8,12H2,1-4H3,(H,27,29,31)/t14-,16-,19-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290762
PNG
(9-{4-[2-(2-Methoxy-phenoxy)-ethylamino]-butyryl}-3...)
Show SMILES COc1ccccc1OCCNCCCC(=O)N1CCCSc2c1cnn(C)c2=O
Show InChI InChI=1S/C21H28N4O4S/c1-24-21(27)20-16(15-23-24)25(12-6-14-30-20)19(26)9-5-10-22-11-13-29-18-8-4-3-7-17(18)28-2/h3-4,7-8,15,22H,5-6,9-14H2,1-2H3
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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070192
PNG
((6aR,9R,10aR)-3-tert-Butyl-7-methyl-4,6,6a,7,8,9,1...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
Show InChI InChI=1S/C24H28ClN5O/c1-24(2,3)17-6-5-15-16-9-14(23(31)27-20-8-7-19(25)28-29-20)12-30(4)18(16)10-13-11-26-22(17)21(13)15/h5-8,11,14,16,18,26H,9-10,12H2,1-4H3,(H,27,29,31)/t14-,16-,18-/m1/s1
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n/an/a 870n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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n/an/a 900n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070194
PNG
((6aR,9R,10aR)-3-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-8-15-14-6-7-16(20(2,3)4)19-18(14)13(10-21-19)9-17(15)22(5)11-12/h6-7,10,12,15,17,21H,8-9,11H2,1-5H3/t12-,15-,17-/m1/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070181
PNG
(1-(3-Dimethylamino-propyl)-3-ethyl-1-((6aR,9R,10aR...)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C24H35N5O2/c1-5-25-24(31)29(11-7-10-27(2)3)23(30)17-12-19-18-8-6-9-20-22(18)16(14-26-20)13-21(19)28(4)15-17/h6,8-9,14,17,19,21,26H,5,7,10-13,15H2,1-4H3,(H,25,31)/t17-,19-,21-/m1/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070183
PNG
((6aR,9R,10aR)-2-tert-Butyl-7,9-dimethyl-4,6,6a,7,8...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
Show InChI InChI=1S/C20H28N2/c1-12-6-15-16-8-14(20(2,3)4)9-17-19(16)13(10-21-17)7-18(15)22(5)11-12/h8-10,12,15,18,21H,6-7,11H2,1-5H3/t12-,15-,18-/m1/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290760
PNG
(9-{3-[2-(2-Methoxy-phenoxy)-ethylamino]-propionyl}...)
Show SMILES COc1ccccc1OCCNCCC(=O)N1CCCOc2c1cnn(C)c2=O
Show InChI InChI=1S/C20H26N4O5/c1-23-20(26)19-15(14-22-23)24(11-5-12-29-19)18(25)8-9-21-10-13-28-17-7-4-3-6-16(17)27-2/h3-4,6-7,14,21H,5,8-13H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070182
PNG
((6aR,9R,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,1...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H28N4OS/c1-23(2,3)15-9-17-16-7-14(21(28)26-22-24-5-6-29-22)12-27(4)19(16)8-13-11-25-18(10-15)20(13)17/h5-6,9-11,14,16,19,25H,7-8,12H2,1-4H3,(H,24,26,28)/t14-,16-,19-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070201
PNG
(((6aR,9S,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C28H35N3O2/c1-28(2,3)21-12-23-22-10-19(14-30-27(32)33-17-18-8-6-5-7-9-18)16-31(4)25(22)11-20-15-29-24(13-21)26(20)23/h5-9,12-13,15,19,22,25,29H,10-11,14,16-17H2,1-4H3,(H,30,32)/t19-,22+,25+/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048573
PNG
((2-Methyl-indol-1-yl)-propyl-pyridin-4-yl-amine | ...)
Show SMILES CCCN(c1ccncc1)n1c(C)cc2ccccc12
Show InChI InChI=1S/C17H19N3/c1-3-12-19(16-8-10-18-11-9-16)20-14(2)13-15-6-4-5-7-17(15)20/h4-11,13H,3,12H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290759
PNG
(9-{2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-am...)
Show SMILES Cn1ncc2N(CCCSc2c1=O)C(=O)CNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H22N4O4S/c1-22-19(25)18-14(10-21-22)23(7-4-8-28-18)17(24)11-20-9-13-12-26-15-5-2-3-6-16(15)27-13/h2-3,5-6,10,13,20H,4,7-9,11-12H2,1H3
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n/an/a 2.33E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048587
PNG
((3-Methyl-indol-1-yl)-propyl-pyridin-4-yl-amine | ...)
Show SMILES CCCN(c1ccncc1)n1cc(C)c2ccccc12
Show InChI InChI=1S/C17H19N3/c1-3-12-19(15-8-10-18-11-9-15)20-13-14(2)16-6-4-5-7-17(16)20/h4-11,13H,3,12H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290770
PNG
(9-{2-[2-(2-Methoxy-phenoxy)-ethylamino]-acetyl}-3-...)
Show SMILES COc1ccccc1OCCNCC(=O)N1CCCSc2c1cnn(C)c2=O
Show InChI InChI=1S/C19H24N4O4S/c1-22-19(25)18-14(12-21-22)23(9-5-11-28-18)17(24)13-20-8-10-27-16-7-4-3-6-15(16)26-2/h3-4,6-7,12,20H,5,8-11,13H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50070189
PNG
(1-Acetyl-3-((6aR,9S,10aR)-2-tert-butyl-7-methyl-4,...)
Show SMILES CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
Show InChI InChI=1S/C23H32N4OS/c1-13(28)26-22(29)25-10-14-6-17-18-8-16(23(2,3)4)9-19-21(18)15(11-24-19)7-20(17)27(5)12-14/h8-9,11,14,17,20,24H,6-7,10,12H2,1-5H3,(H2,25,26,28,29)/t14-,17+,20+/m0/s1
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n/an/a 3.57E+3n/an/an/an/an/an/a



Pharmacia & Upjohn S.p.A.-CNS Research

Curated by ChEMBL


Assay Description
Displacement of [3H]yohimbine from Alpha-2 adrenergic receptor in rat frontal cortex


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50048611
PNG
((3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine | C...)
Show SMILES CCCN(c1ccncc1)n1cc(CC)c2ccccc12
Show InChI InChI=1S/C18H21N3/c1-3-13-20(16-9-11-19-12-10-16)21-14-15(4-2)17-7-5-6-8-18(17)21/h5-12,14H,3-4,13H2,1-2H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex


J Med Chem 39: 570-81 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290750
PNG
(9-{4-[2-(2-Methoxy-phenoxy)-ethylamino]-butyryl}-3...)
Show SMILES COc1ccccc1OCCNCCCC(=O)N1CCCOc2c1cnn(C)c2=O
Show InChI InChI=1S/C21H28N4O5/c1-24-21(27)20-16(15-23-24)25(12-6-13-30-20)19(26)9-5-10-22-11-14-29-18-8-4-3-7-17(18)28-2/h3-4,7-8,15,22H,5-6,9-14H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50290747
PNG
(9-{2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-am...)
Show SMILES Cn1ncc2N(CCCOc2c1=O)C(=O)CNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H22N4O5/c1-22-19(25)18-14(10-21-22)23(7-4-8-26-18)17(24)11-20-9-13-12-27-15-5-2-3-6-16(15)28-13/h2-3,5-6,10,13,20H,4,7-9,11-12H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


Bioorg Med Chem Lett 7: 2857-2862 (1997)

More data for this
Ligand-Target Pair
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